6-bromo-7-hydroxy-4-propylchromen-2-one

C12H11BrO3 — CID 169006573

IUPAC6-bromo-7-hydroxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(O)c(Br)cc12
InChIInChI=1S/C12H11BrO3/c1-2-3-7-4-12(15)16-11-6-10(14)9(13)5-8(7)11/h4-6,14H,2-3H2,1H3
InChIKeyZUDAJWZMSMVUNH-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.21
Rot. Bonds2

About 6-bromo-7-hydroxy-4-propylchromen-2-one

6-bromo-7-hydroxy-4-propylchromen-2-one (PubChem CID 169006573) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 6-bromo-7-hydroxy-4-propylchromen-2-one.

Molecular Properties

Compound Name6-bromo-7-hydroxy-4-propylchromen-2-one
PubChem CID169006573
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name6-bromo-7-hydroxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(O)c(Br)cc12
InChIInChI=1S/C12H11BrO3/c1-2-3-7-4-12(15)16-11-6-10(14)9(13)5-8(7)11/h4-6,14H,2-3H2,1H3
InChIKeyZUDAJWZMSMVUNH-UHFFFAOYSA-N
XLogP3.21
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697
6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one
CID 90809598
6-bromo-7-hydroxy-4-propan-2-ylchromen-2-one
CID 147050060
(6-bromo-7-hydroxy-2-oxochromen-4-yl)methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 177489681
ethane;5-hydroxy-4-propylchromen-2-one
CID 142017980
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
6-bromo-4-ethyl-7-methoxychromen-2-one
CID 130464576
7-bromo-4-pentylchromen-2-one
CID 87859021
6-ethoxy-4-propylchromen-2-one
CID 134087770
7-butoxy-6-chloro-4-propylchromen-2-one
CID 2222811
7-hydroxy-4-octylchromen-2-one
CID 139771377
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-hydroxy-4-propylchromen-2-one?
The IUPAC name of 6-bromo-7-hydroxy-4-propylchromen-2-one (CID 169006573) is 6-bromo-7-hydroxy-4-propylchromen-2-one.
What is the SMILES notation for 6-bromo-7-hydroxy-4-propylchromen-2-one?
The canonical SMILES for 6-bromo-7-hydroxy-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(O)c(Br)cc12.
What is the InChIKey of 6-bromo-7-hydroxy-4-propylchromen-2-one?
The InChIKey is ZUDAJWZMSMVUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-2-3-7-4-12(15)16-11-6-10(14)9(13)5-8(7)11/h4-6,14H,2-3H2,1H3.
What are the key properties of 6-bromo-7-hydroxy-4-propylchromen-2-one?
6-bromo-7-hydroxy-4-propylchromen-2-one has a molecular weight of 283.12 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-hydroxy-4-propylchromen-2-one is sourced from PubChem (CID 169006573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).